[(E)-3-isocyanoprop-1-enyl]cyclohexane

C10H15N — CID 177406975

IUPAC[(E)-3-isocyanoprop-1-enyl]cyclohexane
SMILES[C-]#[N+]C/C=C/C1CCCCC1
InChIInChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2/b8-5+
InChIKeyOHCNQYGFPGBKKG-VMPITWQZSA-N
MW149.24 g/mol
LogP3.04
Rot. Bonds2

About [(E)-3-isocyanoprop-1-enyl]cyclohexane

[(E)-3-isocyanoprop-1-enyl]cyclohexane (PubChem CID 177406975) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is [(E)-3-isocyanoprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-isocyanoprop-1-enyl]cyclohexane
PubChem CID177406975
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name[(E)-3-isocyanoprop-1-enyl]cyclohexane
SMILES[C-]#[N+]C/C=C/C1CCCCC1
InChIInChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2/b8-5+
InChIKeyOHCNQYGFPGBKKG-VMPITWQZSA-N
XLogP3.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexaneacrylonitrile, (E)-
CID 5382612
(2e)-1-Cyano-3-cyclohexyl-2-propene
CID 13643073
(Z)-3-cyclohexyl-acrylonitrile
CID 12370427
3-Cyclohexylprop-2-enenitrile
CID 287346
(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine
CID 12772304
4-Cyclohexylbut-3-enenitrile
CID 68154680
Cyclohexyl-methylidene-allylamine
CID 70547811
[(E)-3-azidoprop-1-enyl]cyclohexane
CID 102226727
3-(2-Isocyanoethyl)cyclohexene
CID 123828561
[(Z)-3-azidoprop-1-enyl]cyclohexane
CID 149651080
3-Azidoprop-1-enylcyclohexane
CID 149651081
Cyclohex-2-en-1-ylmethyl(methylidyne)azanium
CID 163479436

Frequently Asked Questions

What is the IUPAC name of [(E)-3-isocyanoprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-isocyanoprop-1-enyl]cyclohexane (CID 177406975) is [(E)-3-isocyanoprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-isocyanoprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-isocyanoprop-1-enyl]cyclohexane is [C-]#[N+]C/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-isocyanoprop-1-enyl]cyclohexane?
The InChIKey is OHCNQYGFPGBKKG-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2/b8-5+.
What are the key properties of [(E)-3-isocyanoprop-1-enyl]cyclohexane?
[(E)-3-isocyanoprop-1-enyl]cyclohexane has a molecular weight of 149.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-isocyanoprop-1-enyl]cyclohexane is sourced from PubChem (CID 177406975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).